4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea

C31H36F9N9O7 — CID 159380978

IUPAC4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea
SMILESC.CCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1O.CNC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H14F3N3O3.C10H10F3N3O3.C8H8F3N3O.CH4/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-15-7(17)8(18)16(9(15)19)6-4-5(2-3-14-6)10(11,12)13;1-12-7(15)14-6-4-5(2-3-13-6)8(9,10)11;/h4-6,9-10,19H,3H2,1-2H3;2-4,7-8,17-18H,1H3;2-4H,1H3,(H2,12,13,14,15);1H4
InChIKeyLKXBTDUSRFCZND-UHFFFAOYSA-N
MW817.67 g/mol
LogP4.75
Rot. Bonds5

About 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea

4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 159380978) has the molecular formula C31H36F9N9O7 and a molecular weight of 817.67 g/mol. Its IUPAC name is 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID159380978
Molecular FormulaC31H36F9N9O7
Molecular Weight817.67 g/mol
Exact Mass817.26
IUPAC Name4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea
SMILESC.CCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1O.CNC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H14F3N3O3.C10H10F3N3O3.C8H8F3N3O.CH4/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-15-7(17)8(18)16(9(15)19)6-4-5(2-3-14-6)10(11,12)13;1-12-7(15)14-6-4-5(2-3-13-6)8(9,10)11;/h4-6,9-10,19H,3H2,1-2H3;2-4,7-8,17-18H,1H3;2-4H,1H3,(H2,12,13,14,15);1H4
InChIKeyLKXBTDUSRFCZND-UHFFFAOYSA-N
XLogP4.75
TPSA196.82 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500817.67
LogP ≤ 54.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea with MolForge

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Related Compounds

5-Ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118010500
(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118010876
(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118011113
4-Hydroxy-1-methyl-5-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118019225
1-[4-(1,1-Difluoroethyl)pyridin-2-yl]-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
CID 118019240
7-Hydroxy-6-[4-(trifluoromethyl)pyridin-2-yl]-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]oxazol-5-one
CID 118019253
4-Hydroxy-1-methyl-5-propan-2-yloxy-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118019269
5-Ethoxy-1-ethyl-4-hydroxy-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118019297
4-Hydroxy-1-methyl-5-propoxy-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118019303
5-Ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)pyridin-2-yl]imidazolidin-2-one
CID 118019314
4-Hydroxy-5-(2-methoxyethoxy)-1-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118019329
4-Hydroxy-1-methyl-3-[5-(6-morpholin-4-ylpyridin-3-yl)-4-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 118043427

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea (CID 159380978) is 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea is C.CCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1O.CNC(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is LKXBTDUSRFCZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3.C10H10F3N3O3.C8H8F3N3O.CH4/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-15-7(17)8(18)16(9(15)19)6-4-5(2-3-14-6)10(11,12)13;1-12-7(15)14-6-4-5(2-3-13-6)8(9,10)11;/h4-6,9-10,19H,3H2,1-2H3;2-4,7-8,17-18H,1H3;2-4H,1H3,(H2,12,13,14,15);1H4.
What are the key properties of 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea?
4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 817.67 g/mol, XLogP of 4.75, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 159380978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).